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110499-97-3

110499-97-3 structural image
Product Name: 4-HEXYL-4'-[2-(4-ISOTHIOCYANATOPHENYL)ETHYL]-1,1'-BIPHENYL
Formula: C27H29NS
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 399.6 g/mol
XLogP3 10.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 10
Exact Mass 399.20207110 g/mol
Monoisotopic Mass 399.20207110 g/mol
Topological Polar Surface Area 44.4 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 473
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes